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DocumentationIdentifier: MM375510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375510 |
| SMILES |
C=C(C(C)O)C(C)C(C)C
|
| InChIKey |
ZMKGQDFZBRELRO-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM364895
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| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM360526
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| Tanimoto metric | 0.6864 |
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| Cosine metric | 0.8285 |
| Dice metric | 0.8141 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.97 |
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MM373922
Similarity: 0.6783
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| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8083 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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